CID 2773339

3-bromo-5-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1=C(C=C(C=C1F)Br)C(=O)O
InChI
InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
KLSLJMGWUPAQGZ-UHFFFAOYSA-N
Compound name
3-bromo-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

217.93787 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94515 136.6
[M+Na]+ 240.92709 139.6
[M+NH4]+ 235.97169 140.7
[M+K]+ 256.90103 140.2
[M-H]- 216.93059 135.3
[M+Na-2H]- 238.91254 139.3
[M]+ 217.93732 135.3
[M]- 217.93842 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe